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Home > Boronic Acids > 913835-56-0
913835-56-0 | 2-(3-Borono-5-fluorophenoxy);acetic acid
CAS No: 913835-56-0 Catalog No: AG006NKM MDL No:MFCD08436015
Product Description
Catalog Number:
AG006NKM
Chemical Name:
2-(3-Borono-5-fluorophenoxy);acetic acid
CAS Number:
913835-56-0
Molecular Formula:
C8H8BFO5
Molecular Weight:
213.9555
MDL Number:
MFCD08436015
IUPAC Name:
2-(3-borono-5-fluorophenoxy)acetic acid
InChI:
InChI=1S/C8H8BFO5/c10-6-1-5(9(13)14)2-7(3-6)15-4-8(11)12/h1-3,13-14H,4H2,(H,11,12)
InChI Key:
AZIUTOMDLIOGHF-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cc(F)cc(c1)B(O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.955g/mol
Monoisotopic Mass:
214.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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